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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'schulz-fincke' and Initial = 'ac'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 80 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 80 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 80 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 80 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392209
PNG
(CHEMBL2153172)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O4S/c1-12(2)10-24(22,23)11-14(16(21)18-9-8-17)19-15(20)13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
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33n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50084637
PNG
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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37n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


ACS Med Chem Lett 9: 345-350 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00533
BindingDB Entry DOI: 10.7270/Q24B3403
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392209
PNG
(CHEMBL2153172)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O4S/c1-12(2)10-24(22,23)11-14(16(21)18-9-8-17)19-15(20)13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
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40n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392210
PNG
(CHEMBL2153163)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O4S2/c1-10(2)8-23(20,21)9-11(13(18)16-6-5-15)17-14(19)12-4-3-7-22-12/h3-4,7,10-11H,6,8-9H2,1-2H3,(H,16,18)(H,17,19)
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45n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392212
PNG
(CHEMBL2153165)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(19(24)22-9-8-21)23-20(25)18-10-16(11-28-18)15-6-4-3-5-7-15/h3-7,10-11,14,17H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
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60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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61n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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61n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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76n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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89n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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94n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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100n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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200n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50520503
PNG
(CHEMBL4471610)
Show SMILES CO[C@H]1[C@@H](C)[C@H](O)\C=C\C(\C)=C/C(/C)=C\[C@H](C)[C@H](O)\C=C(/C)\C=C\CC(=O)OCC\C=C\C=C1/C |r,c:10,13,19,t:7,22,30,32|
Show InChI InChI=1S/C30H44O5/c1-21-12-11-14-29(33)35-17-10-8-9-13-24(4)30(34-7)26(6)27(31)16-15-22(2)18-23(3)19-25(5)28(32)20-21/h8-9,11-13,15-16,18-20,25-28,30-32H,10,14,17H2,1-7H3/b9-8+,12-11+,16-15+,21-20+,22-18-,23-19-,24-13+/t25-,26-,27+,28+,30+/m0/s1
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609n/an/an/an/an/an/an/an/a



Universit£t Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...


J Med Chem 63: 1684-1698 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01887
BindingDB Entry DOI: 10.7270/Q2NZ8C2N
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50483929
PNG
(Archazolid F | CHEBI:67525)
Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(\C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |r,t:21,24,30,33,36,46,48|
Show InChI InChI=1S/C41H60N2O7S/c1-25(2)20-36(49-41(47)42-10)40-43-33(24-51-40)39-30(7)16-13-15-29(6)38(48-11)32(9)34(44)19-18-27(4)21-28(5)22-31(8)35(45)23-26(3)14-12-17-37(46)50-39/h12-16,18-19,21-25,30-32,34-36,38-39,44-45H,17,20H2,1-11H3,(H,42,47)/b14-12+,16-13+,19-18+,26-23+,27-21-,28-22-,29-15+/t30-,31-,32-,34+,35+,36-,38+,39-/m0/s1
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859n/an/an/an/an/an/an/an/a



Universit£t Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...


J Med Chem 63: 1684-1698 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01887
BindingDB Entry DOI: 10.7270/Q2NZ8C2N
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50178305
PNG
(ARCHAZOLID A)
Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)\C(C)=C\C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |t:21,25,31,34,37,47,49|
Show InChI InChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-15,17-19,21-25,30,32-33,35-39,45-46H,16,20H2,1-12H3,(H,43,48)/b15-13+,19-17+,26-21-,27-23+,28-22-,29-14+,31-18+/t30-,32-,33-,35+,36+,37-,38+,39-/m0/s1
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967n/an/an/an/an/an/an/an/a



Universit£t Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...


J Med Chem 63: 1684-1698 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01887
BindingDB Entry DOI: 10.7270/Q2NZ8C2N
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50064186
PNG
((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...)
Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C |c:5,15,18,t:3|
Show InChI InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1
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1.08E+3n/an/an/an/an/an/an/an/a



Universit£t Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...


J Med Chem 63: 1684-1698 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01887
BindingDB Entry DOI: 10.7270/Q2NZ8C2N
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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1.10E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50520505
PNG
(CHEMBL4593430)
Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)[C@@H](C)\C=C\C(\C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |r,t:22,25,31,34,37,47,49|
Show InChI InChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-19,21-25,30-33,35-39,45-46H,20H2,1-12H3,(H,43,48)/b15-13+,18-16+,19-17+,26-21-,27-23+,28-22-,29-14+/t30-,31-,32-,33-,35+,36+,37-,38+,39-/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Universit£t Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...


J Med Chem 63: 1684-1698 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01887
BindingDB Entry DOI: 10.7270/Q2NZ8C2N
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50483928
PNG
(ARCHAZOLID B)
Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)\C=C\C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |t:20,24,30,33,36,46,48|
Show InChI InChI=1S/C41H60N2O7S/c1-25(2)20-36(49-41(47)42-10)40-43-33(24-51-40)39-30(7)16-13-15-29(6)38(48-11)32(9)34(44)19-18-27(4)21-28(5)22-31(8)35(45)23-26(3)14-12-17-37(46)50-39/h12-13,15-19,21-25,30-32,34-36,38-39,44-45H,14,20H2,1-11H3,(H,42,47)/b16-13+,17-12+,19-18+,26-23+,27-21-,28-22-,29-15+/t30-,31-,32-,34+,35+,36-,38+,39-/m0/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Universit£t Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...


J Med Chem 63: 1684-1698 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01887
BindingDB Entry DOI: 10.7270/Q2NZ8C2N
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50520502
PNG
(CHEMBL4447903)
Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(\C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](O)\C(C)=C\C=C\[C@@H]1C |r,t:21,24,30,33,36,45,47|
Show InChI InChI=1S/C40H58N2O7S/c1-24(2)19-35(48-40(47)41-10)39-42-32(23-50-39)38-29(7)15-12-14-28(6)37(46)31(9)33(43)18-17-26(4)20-27(5)21-30(8)34(44)22-25(3)13-11-16-36(45)49-38/h11-15,17-18,20-24,29-31,33-35,37-38,43-44,46H,16,19H2,1-10H3,(H,41,47)/b13-11+,15-12+,18-17+,25-22+,26-20-,27-21-,28-14+/t29-,30-,31-,33+,34+,35-,37+,38-/m0/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Universit£t Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...


J Med Chem 63: 1684-1698 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01887
BindingDB Entry DOI: 10.7270/Q2NZ8C2N
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50520501
PNG
(CHEMBL4549217)
Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@@H](O)[C@@H](C)\C=C\C=C(/C)[C@@H](OC)[C@@H](C)[C@H](O)\C=C\C(\C)=C/C(/C)=C\[C@H](C)[C@H](O)\C=C(/C)\C=C\CC(=O)OC |r|
Show InChI InChI=1S/C42H64N2O8S/c1-26(2)21-37(52-42(49)43-10)41-44-34(25-53-41)39(48)30(6)16-14-17-31(7)40(51-12)33(9)35(45)20-19-28(4)22-29(5)23-32(8)36(46)24-27(3)15-13-18-38(47)50-11/h13-17,19-20,22-26,30,32-33,35-37,39-40,45-46,48H,18,21H2,1-12H3,(H,43,49)/b15-13+,16-14+,20-19+,27-24+,28-22-,29-23-,31-17+/t30-,32-,33-,35+,36+,37-,39-,40+/m0/s1
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1.61E+3n/an/an/an/an/an/an/an/a



Universit£t Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...


J Med Chem 63: 1684-1698 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01887
BindingDB Entry DOI: 10.7270/Q2NZ8C2N
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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3.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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3.40E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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3.90E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392212
PNG
(CHEMBL2153165)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(19(24)22-9-8-21)23-20(25)18-10-16(11-28-18)15-6-4-3-5-7-15/h3-7,10-11,14,17H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392212
PNG
(CHEMBL2153165)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(19(24)22-9-8-21)23-20(25)18-10-16(11-28-18)15-6-4-3-5-7-15/h3-7,10-11,14,17H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
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